Point defects in B2 compounds

Point defects in B2 compounds are described with a model based on the formula (A,B,Va) 1(B,A,Va) 1 and results are compared with previous results from two models based on combined defects and using the formulae (A,B) 1(B,A) 1 and (A,Va) 1(B,A) 1. The comparison is straight-forward close to the stoic...

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Bibliographic Details
Published in:Journal of alloys and compounds 2001-11, Vol.329 (1), p.208-213
Main Authors: Hillert, M, Selleby, M
Format: Article
Language:English
Subjects:
alloys
Applied sciences
Condensed matter: structure, mechanical and thermal properties
Defects and impurities in crystals
microstructure
Exact sciences and technology
intermetallic phases
Intermetallics
long-range order
Metals. Metallurgy
Physics
Point defects
Point defects (vacancies, interstitials, color centers, etc.) and defect clusters
Structure of solids and liquids
crystallography
Thermodynamic modelling
thermodynamics
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Summary:Point defects in B2 compounds are described with a model based on the formula (A,B,Va) 1(B,A,Va) 1 and results are compared with previous results from two models based on combined defects and using the formulae (A,B) 1(B,A) 1 and (A,Va) 1(B,A) 1. The comparison is straight-forward close to the stoichiometric composition but not closer to the pure elements. Using the more general model, it is demonstrated that the fact that vacancies are the predominant defect in some B2 compounds with a small excess of B atoms depends primarily on interactions between next-nearest neighbours rather than on a high enthalpy of formation of the compound, as proposed earlier.
ISSN:0925-8388
1873-4669
1873-4669
DOI:10.1016/S0925-8388(01)01621-8